- InChI
- InChI=1S/C13H14O5/c1-8(14)6-11-4-5-12(17-9(2)15)7-13(11)18-10(3)16/h4-5,7H,6H2,1-3H3
- InChI Key
- FRVVDNILXRUHSD-UHFFFAOYSA-N
- Formula
- C13H14O5
- SMILES
-
CC(=O)Cc1ccc(OC(C)=O)cc1OC(C)=
O - Molecular Weight1
- 250.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -445.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 1.669 | Crippen Calculated Property | |
| McVol | 186.720 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Inp | [1735.00; 1735.00] |
|
|
| Inp | 1735.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Tboil | 739.93 | K | Joback Calculated Property |
| Tc | 955.63 | K | Joback Calculated Property |
| Tfus | 481.98 | K | Joback Calculated Property |
| Vc | 0.710 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.73; 561.08] | J/mol×K | [739.93; 955.63] |
|
| Cp,gas | 500.73 | J/mol×K | 739.93 | Joback Calculated Property |
| Cp,gas | 513.02 | J/mol×K | 775.88 | Joback Calculated Property |
| Cp,gas | 524.42 | J/mol×K | 811.83 | Joback Calculated Property |
| Cp,gas | 534.94 | J/mol×K | 847.78 | Joback Calculated Property |
| Cp,gas | 544.56 | J/mol×K | 883.73 | Joback Calculated Property |
| Cp,gas | 553.27 | J/mol×K | 919.68 | Joback Calculated Property |
| Cp,gas | 561.08 | J/mol×K | 955.63 | Joback Calculated Property |
| η | [0.0001338; 0.0007863] | Pa×s | [481.98; 739.93] |
|
| η | 0.0007863 | Pa×s | 481.98 | Joback Calculated Property |
| η | 0.0005187 | Pa×s | 524.97 | Joback Calculated Property |
| η | 0.0003645 | Pa×s | 567.96 | Joback Calculated Property |
| η | 0.0002691 | Pa×s | 610.96 | Joback Calculated Property |
| η | 0.0002068 | Pa×s | 653.95 | Joback Calculated Property |
| η | 0.0001641 | Pa×s | 696.94 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 739.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fenproporex-M (desamino-oxo-di-HO), 2AC.
Sources
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